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(5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C14H14N2O5S2

SMILES: CCOC1=CC(=CC(C=C2/SC(=S)N(CC)C2=O)=C1O)[N+]([O-])=O

IUPAC: (5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C14H14N2O5S2/c1-3-15-13(18)11(23-14(15)22)6-8-5-9(16(19)20)7-10(12(8)17)21-4-2/h5-7,17H,3-4H2,1-2H3/b11-6-

Composition: C (47.45%), H (3.98%), N (7.90%), O (22.57%), S (18.09%)

Molar Mass: 354.4

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 354.034413907
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey YRWWXJWSSQGFBY-WDZFZDKYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.37
Topological Polar Surface Area 92.91
Polarizability 35.04
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H14N2O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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